N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine

C14H14BrF2NO — CID 106857656

IUPACN-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H14BrF2NO/c1-2-7-18-13(9-6-8-19-14(9)15)12-10(16)4-3-5-11(12)17/h3-6,8,13,18H,2,7H2,1H3
InChIKeyIJKWVRXYIKDFAQ-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.41
Rot. Bonds5

About N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine

N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine (PubChem CID 106857656) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
PubChem CID106857656
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC NameN-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccoc1Br)c1c(F)cccc1F
InChIInChI=1S/C14H14BrF2NO/c1-2-7-18-13(9-6-8-19-14(9)15)12-10(16)4-3-5-11(12)17/h3-6,8,13,18H,2,7H2,1H3
InChIKeyIJKWVRXYIKDFAQ-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromofuran-3-yl)-(2,5-difluorophenyl)methyl]propan-1-amine
CID 106851680
N-[(2-bromofuran-3-yl)-(2,5-difluoro-4-methylphenyl)methyl]propan-1-amine
CID 106851874
N-[(2-bromofuran-3-yl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130022
N-[(2-bromofuran-3-yl)-(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106858390
N-[(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 114887409
N-[(2,6-difluorophenyl)-(3-methylfuran-2-yl)methyl]propan-1-amine
CID 104806139
N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115859835
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
CID 106858311
N-[1-(2-bromofuran-3-yl)-2-(2,3-difluorophenyl)ethyl]propan-1-amine
CID 106854725
N-[(2-bromofuran-3-yl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 106858239
N-[1-(2-bromofuran-3-yl)-2-(2-chloro-3-fluorophenyl)ethyl]propan-1-amine
CID 106858502
N-[(2-bromo-6-fluorophenyl)-(3-bromo-2-fluorophenyl)methyl]propan-1-amine
CID 106646205

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine (CID 106857656) is N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ccoc1Br)c1c(F)cccc1F.
What is the InChIKey of N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine?
The InChIKey is IJKWVRXYIKDFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-2-7-18-13(9-6-8-19-14(9)15)12-10(16)4-3-5-11(12)17/h3-6,8,13,18H,2,7H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine?
N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine has a molecular weight of 330.17 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-(2,6-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 106857656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).